activity
20112023
most citedPolyatomic candidates for cooling of molecules with lasers from simple theoretical concepts

148 citations · 889 across the 26 of their papers we have counts for

collaborators

26 papers

physics.chem-ph2023★ 1 cited

Towards detection of molecular parity violation by microwave spectroscopy of CpRe(CH)(CO)(NO)

Nityananda Sahu, Konstantin Gaul, Anke Wilm +2

Parity-violating differences in rotational constants of a chiral 5d transition metal complex, that was previously experimentally well-characterised by broad-band microwave spectros…

hep-ph2022★ 28 cited

Electric dipole moments and the search for new physics

Ricardo Alarcon, Jim Alexander, Vassilis Anastassopoulos +140

Static electric dipole moments of nondegenerate systems probe mass scales for physics beyond the Standard Model well beyond those reached directly at high energy colliders. Discrim…

physics.chem-ph2022★ 12 cited

Relativistic and QED corrections to one-bond indirect nulcear spin-spin couplings in X and X ions (X = Zn, Cd, Hg)

Mariano Colombo Jofré, Karol Kozioł, I. Agustín Aucar +3

The indirect nuclear spin-spin coupling tensor, , between mercury nuclei in Hg-containing systems can be of the order of few kHz and one of the largest measured. We cond…

physics.chem-ph2022★ 11 cited

Cool molecular highly charged ions for precision tests of fundamental physics

Carsten Zülch, Konstantin Gaul, Steffen M. Giesen +2

Molecules and atomic highly charged ions provide powerful low-energy probes of the fundamental laws of physics: Polar molecules possess internal fields suitable to enhance fundamen…

physics.atom-ph2021★ 23 cited

Accurate \textit{ab initio} calculations of RaF electronic structure indicate the need for more laser-spectroscopical measurements

Andrei Zaitsevskii, Leonid V. Skripnikov, Nikolai S. Mosyagin +4

Recently a breakthrough has been achieved in laser-spectroscopic studies of short-lived radioactive compounds with the first measurements of the radium monofluoride molecule (RaF)…

physics.atm-clus2021★ 44 cited

Fourfold Differential Photoelectron Circular Dichroism

K. Fehre, N. M. Novikovskiy, S. Grundmann +28

We report on a joint experimental and theoretical study of photoelectron circular dichroism (PECD) in methyloxirane. By detecting O 1s-photoelectrons in coincidence with fragment i…

nucl-ex2021★ 52 cited

Isotope Shifts of Radium Monofluoride Molecules

S. M. Udrescu, A. J. Brinson, R. F. Garcia Ruiz +25

Isotope shifts of RaF were measured for different vibrational levels in the electronic transition . The observed isoto…

quant-ph2021★ 24 cited

Enantiomer superpositions from matter-wave interference of chiral molecules

Benjamin A. Stickler, Mira Diekmann, Robert Berger +1

Molecular matter-wave interferometry enables novel strategies for manipulating the internal mechanical motion of complex molecules. Here, we show how chiral molecules can be prepar…

physics.chem-ph2021★ 13 cited

Quasi-relativistic approach to analytical gradients of parity violating potentials

Sascha A Brück, Nityananda Sahu, Konstantin Gaul +1

An analytic gradient approach for the computation of derivatives of parity-violating (PV) potentials with respect to displacements of the nuclei in chiral molecules is described an…

physics.chem-ph2021★ 12 cited

A new route for enantio-sensitive structure determination by photoelectron scattering on molecules in the gas phase

K. Fehre, N. M. Novikovskiy, S. Grundmann +28

X-ray as well as electron diffraction are powerful tools for structure determination of molecules. Studies on randomly oriented molecules in the gas-phase address cases in which mo…

physics.chem-ph2020★ 16 cited

Parity nonconserving interactions of electrons in chiral molecules with cosmic fields

Konstantin Gaul, Mikhail G. Kozlov, Timur A. Isaev +1

Pseudoscalar or pseudovector cosmic fields, that serve as a source of parity () violation, are invoked in different models for cold dark matter or in the standard mode…

hep-ph2020★ 35 cited

Chiral molecules as sensitive probes for direct detection of -odd cosmic fields

Konstantin Gaul, Mikhail G. Kozlov, Timur A. Isaev +1

Particular advantages of chiral molecules for direct detection of the time-dependence of pseudoscalar and the timelike-component of pseudovector cosmic fields are highlighted. Such…

physics.chem-ph2020★ 36 cited

High-resolution resonance-enhanced multiphoton photoelectron circular dichroism

Alexander Kastner, Greta Koumarianou, Pavle Glodic +13

Photoelectron circular dichroism (PECD) is a highly sensitive enantiospecific spectroscopy for studying chiral molecules in the gas phase using either single-photon ionization or m…

physics.chem-ph2019★ 33 cited

Toolbox approach for quasi-relativistic calculation of molecular properties for precision tests of fundamental physics

Konstantin Gaul, Robert Berger

A generally applicable approach for the calculation of relativistic one-electron properties with two-component wave functions is presented. The formalism is explicitly evaluated fo…

physics.chem-ph2018★ 46 cited

Ab initio study of parity and time-reversal violation in laser-coolable triatomic molecules

Konstantin Gaul, Robert Berger

Electronic structure enhancement factors of simultaneous parity and time-reversal violation (-violation) caused by an electric dipole moment of the electron (eEDM) a…

physics.chem-ph2018★ 42 cited

Systematic study of relativistic and chemical enhancements of -odd effects in polar diatomic radicals

Konstantin Gaul, Sebastian Marquardt, Timur Isaev +1

Polar diatomic molecules that have, or are expected to have a -ground state are studied systematically with respect to simultaneous violation of parity and…

gr-qc2018★ 29 cited

BOOST -- A Satellite Mission to Test Lorentz Invariance Using High-Performance Optical Frequency References

Norman Gürlebeck, Lisa Wörner, Thilo Schuldt +15

BOOST (BOOst Symmetry Test) is a proposed satellite mission to search for violations of Lorentz invariance by comparing two optical frequency references. One is based on a long-ter…

physics.chem-ph2017★ 22 cited

Zeroth order regular approximation approach to electric dipole moment interactions of the electron

Konstantin Gaul, Robert Berger

A quasi-relativistic two-component approach for an efficient calculation of -odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is…

cond-mat.mtrl-sci2016

Perturbation of Exciton Aggregate Coupling by Optical Excitation in Crystalline Perfluoropentacene Films

K. Kolata, S. Marquardt, N. W. Rosemann +7

Carrier multiplication by singlet exciton fission enhances photovoltaic conversion efficiencies in organic solids. This decay of one singlet exciton into two triplet states promise…

physics.chem-ph2016★ 18 cited

Stereochemical configuration and selective excitation of the chiral molecule halothane

Martin Pitzer, Gregor Kastirke, Phillip Burzynski +12

X-ray single-photon ionization and fragmentation of the chiral molecule halothane (CHBrClCF) from a racemic mixture have been investigated using the COLTRIMS (Cold Target R…

physics.atom-ph2016★ 76 cited

Observation of enhanced chiral asymmetries in the inner-shell photoionization of uniaxially oriented methyloxirane enantiomers

Maurice Tia, Martin Pitzer, Gregor Kastirke +38

Most large molecules are chiral in their structure: they exist as two enantiomers, which are mirror images of each other. Whereas the rovibronic sublevels of two enantiomers are al…

quant-ph2016★ 60 cited

Theoretical description of circular dichroism in photoelectron angular distributions of randomly oriented chiral molecules after multi-photon photoionization

R. E. Goetz, T. A. Isaev, B. Nikoobakht +2

Photoelectron circular dichroism refers to the forward/backward asymmetry in the photoelectron angular distribution with respect to the propagation axis of circularly polarized lig…

physics.chem-ph2015★ 148 cited

Polyatomic candidates for cooling of molecules with lasers from simple theoretical concepts

Timur Isaev, Robert Berger

A rational approach to identify polyatomic molecules that appear to be promising candidates for direct Doppler cooling with lasers is outlined. First-principle calculations for equ…

physics.atom-ph2014★ 85 cited

Ab initio study of radium monofluoride, RaF, as a candidate to search for P- and T,P- violation effects

A. D. Kudashov, A. N. Petrov, L. V. Skripnikov +4

Relativistic ab initio calculations have been performed to assess the suitability of RaF for experimental search of P- and T,P-violating interactions. The parameters of P- and T,P-…